Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies.

Saritas, Kayahan; Mueller, Tim; Wagner, Lucas; Grossman, Jeffrey C

Saritas, Kayahan; Mueller, Tim; Wagner, Lucas; Grossman, Jeffrey C.

Afiliación

Saritas K; Department of Materials Science and Engineering, Massachusetts Institute of Technology , Cambridge, Massachusetts 02139, United States.
Mueller T; Department of Materials Science and Engineering, Johns Hopkins University , Baltimore, Maryland 21218, United States.
Wagner L; Department of Physics, University of Illinois at Urbana-Champaign , Urbana-Champaign, Illinois 61801, United States.
Grossman JC; Department of Materials Science and Engineering, Massachusetts Institute of Technology , Cambridge, Massachusetts 02139, United States.

J Chem Theory Comput ; 13(5): 1943-1951, 2017 May 09.

Article en En | MEDLINE | ID: mdl-28358499

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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